1-carbamothioyl-5-[(2-chlorophenyl)carbonylamino]pyrazole-4-carboxylic acid

Systemtic Name: 1-carbamothioyl-5-[(2-chlorophenyl)carbonylamino]pyrazole-4-carboxylic acid Openeye Name: 1-carbamothioyl-5-[(2-chlorobenzoyl)amino]pyrazole-4-carboxylic acid CAS Name: 1-carbamothioyl-5-[[(2-chlorophenyl)-oxomethyl]amino]-4-pyrazolecarboxylic acid IUPAC Name: 1-carbamothioyl-5-[(2-chlorobenzoyl)amino]pyrazole-4-carboxylic acid Traditional Name: 5-[(2-chlorobenzoyl)amino]-1-thiocarbamoyl-pyrazole-4-carboxylic acid Formula: C12H9ClN4O3S MolecularWeight: 324.74286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=C(C=NN2C(=S)N)C(=O)O)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=C(C=NN2C(=S)N)C(=O)O)Cl

InChI

InChI=1S/C12H9ClN4O3S/c13-8-4-2-1-3-6(8)10(18)16-9-7(11(19)20)5-15-17(9)12(14)21/h1-5H,(H2,14,21)(H,16,18)(H,19,20)